(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]propanamide

C20H26N2O3S — CID 99956482

IUPAC(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]propanamide
SMILESCC[C@H](NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C20H26N2O3S/c1-5-19(17-9-7-6-8-10-17)21-20(23)16(3)22(26(4,24)25)18-13-11-15(2)12-14-18/h6-14,16,19H,5H2,1-4H3,(H,21,23)/t16-,19-/m0/s1
InChIKeyNFJWCQNDXXNKPA-LPHOPBHVSA-N
MW374.51 g/mol
LogP3.42
Rot. Bonds7

About (2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]propanamide

(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]propanamide (PubChem CID 99956482) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is (2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]propanamide
PubChem CID99956482
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]propanamide
SMILESCC[C@H](NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C20H26N2O3S/c1-5-19(17-9-7-6-8-10-17)21-20(23)16(3)22(26(4,24)25)18-13-11-15(2)12-14-18/h6-14,16,19H,5H2,1-4H3,(H,21,23)/t16-,19-/m0/s1
InChIKeyNFJWCQNDXXNKPA-LPHOPBHVSA-N
XLogP3.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]propanamide
CID 28569731
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 92646732
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 38014010
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]propanamide
CID 124549731
(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 99131938
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 92681615
(2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 92681618
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 133163771
(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 28634282
(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]butanamide
CID 92673390
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 125042380
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124550781

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]propanamide?
The IUPAC name of (2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]propanamide (CID 99956482) is (2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]propanamide.
What is the SMILES notation for (2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]propanamide?
The canonical SMILES for (2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]propanamide is CC[C@H](NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of (2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]propanamide?
The InChIKey is NFJWCQNDXXNKPA-LPHOPBHVSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-5-19(17-9-7-6-8-10-17)21-20(23)16(3)22(26(4,24)25)18-13-11-15(2)12-14-18/h6-14,16,19H,5H2,1-4H3,(H,21,23)/t16-,19-/m0/s1.
What are the key properties of (2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]propanamide?
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]propanamide has a molecular weight of 374.51 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]propanamide is sourced from PubChem (CID 99956482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).